%chk=000155774.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155774

0 1
 O   -4.450100      0.2965000      0.8716000    
 O    5.335200      0.2156000     -4.1000000E-03
 O    2.839700       1.421300     -0.2289000    
 O   -1.452400      -2.773500      -1.592600    
 O   -2.234300       3.587800     -0.4007000    
 N   -2.263700      -1.233800     -5.9099998E-02
 N  -0.4051000      -2.605900      0.4418000    
 N    2.413200      -2.021800      0.4017000    
 C   -3.318800     -0.7840000     -0.9700000    
 C   -2.156300     -0.4478000       1.178200    
 C   -4.633700     -0.5944000     -0.2302000    
 C   -3.527500     -0.2492000       1.815200    
 C   -1.380400      -2.242500     -0.4793000    
 C    1.825300      -3.021300     -0.4810000    
 C   0.5816000      -3.623300      0.1562000    
 C    3.599500      -1.429100     -0.2004000    
 C    4.204700     -0.3329000      0.6796000    
 C    3.229000      0.7996000      0.9920000    
 C    1.581200       1.958900     -0.2715000    
 C   0.9948000       2.455000      0.8929000    
 C   0.8853000       2.010300      -1.479300    
 C  -0.2873000       3.002600      0.8493000    
 C  -0.3968000       2.557800      -1.522800    
 C  -0.9831000       3.054100     -0.3585000    
 H   -2.978900      0.1726000      -1.384500    
 H   -3.449600      -1.483700      -1.800700    
 H   -1.484100     -0.8833000       1.915100    
 H   -1.744200      0.5192000      0.8812000    
 H   -5.030200      -1.549100      0.1353000    
 H   -5.380900     -0.1545000     -0.8979000    
 H   -3.451900      0.4502000       2.653900    
 H   -3.924500      -1.194600       2.203900    
 H    2.544200      -3.823800     -0.6840000    
 H    1.554300      -2.560800      -1.438900    
 H   0.8267000      -4.114700       1.104500    
 H   0.1480000      -4.377900     -0.5090000    
 H    3.359300      -1.011400      -1.186900    
 H    4.363600      -2.197200     -0.3778000    
 H    4.569400     -0.7668000       1.617500    
 H  -0.3320000      -2.159400       1.344400    
 H    2.654400      -2.445200       1.297200    
 H    2.378600      0.3912000       1.551500    
 H    3.734600       1.554800       1.605400    
 H    5.011900      0.6434000     -0.8155000    
 H    1.512900       2.462300       1.847300    
 H    1.336800       1.623700      -2.389000    
 H  -0.7373000       3.392600       1.758200    
 H  -0.9290000       2.590500      -2.469700    
 H   -2.568000       3.536500      -1.312900    


%chk=000155774-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155774

0 1
O -3.897950 0.975268 0.172996
O 5.223371 0.313490 -0.514310
O 2.560122 1.282024 -0.350446
O -1.615585 -3.315268 -1.149013
O -2.637049 3.370458 0.281540
N -2.215338 -1.347801 -0.024780
N -0.351114 -2.633120 0.705539
N 2.595733 -2.244129 0.468428
C -2.951442 -0.852758 -1.209672
C -2.004000 -0.384179 1.074621
C -4.220155 -0.101159 -0.796296
C -3.307989 0.374084 1.389616
C -1.397806 -2.480375 -0.211739
C 1.850208 -3.314340 -0.250312
C 0.595825 -3.745595 0.540089
C 3.547175 -1.493832 -0.392339
C 4.215164 -0.314659 0.353304
C 3.211659 0.729771 0.855821
C 1.304674 1.902338 -0.171101
C 0.909628 2.531130 1.035954
C 0.423385 1.873361 -1.277708
C -0.395869 3.057473 1.156816
C -0.877100 2.401938 -1.152005
C -1.311516 2.950844 0.084110
H -2.302280 -0.172419 -1.801399
H -3.197880 -1.726140 -1.836576
H -1.709257 -0.936294 1.985897
H -1.204203 0.344305 0.829190
H -4.952088 -0.786303 -0.323204
H -4.685133 0.401651 -1.659242
H -3.115093 1.215977 2.073024
H -4.057017 -0.311367 1.835093
H 2.479545 -4.210487 -0.464065
H 1.522813 -2.907846 -1.224499
H 0.884074 -4.131029 1.538015
H 0.073544 -4.547452 -0.007386
H 2.976480 -1.086582 -1.247545
H 4.365438 -2.127184 -0.806125
H 4.792976 -0.689426 1.220269
H 0.051367 -1.802099 1.147044
H 3.079633 -2.636882 1.291553
H 2.453774 0.252526 1.506458
H 3.742072 1.535570 1.399176
H 4.734243 0.854543 -1.188315
H 1.601505 2.602296 1.881246
H 0.760820 1.417063 -2.213642
H -0.730787 3.522055 2.089571
H -1.568477 2.376848 -2.001859
H -3.266001 2.628310 0.006910


